| SpectraBase Compound ID | 2O4dcH5sWnw |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-2-20-14(18)6-4-3-5-7-15(19)21-13-10-11(16)8-9-12(13)17/h8-10H,2-7H2,1H3 |
| InChIKey | MROFJHLUCZCBLT-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17KbYAwFOn5 |
|---|---|
| Name | Pimelic acid, 2,5-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-2-20-14(18)6-4-3-5-7-15(19)21-13-10-11(16)8-9-12(13)17/h8-10H,2-7H2,1H3 |
| InChIKey | MROFJHLUCZCBLT-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(CCCC(OCC)=O)CC(OC=1C=C(C=CC1Cl)Cl)=O |